SCHEMBL6437575

SCHEMBL6437575

CCCOC1CCN(CCCN2C(=O)CCc3ccc(C)c(F)c32)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 0.48
DRD2 P14416 10/20 0.45
CHRM2 P08172 9/20 0.45
CHRM4 P08173 9/20 0.45
CHRM5 P08912 9/20 0.45
CHRM3 P20309 9/20 0.45
DRD4 P21917 8/20 0.45
DRD3 P35462 8/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
KCNH2 Q12809 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6437379 0.92 CHRM1 (0.50) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6434431 0.87 CHRM1 (0.51) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6439575 0.86 CHRM1 (0.65) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6436346 0.85 CHRM1 (0.63) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL6435536 0.84 CHRM1 (0.35) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4101918 0.81 CHRM1 (0.55) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4091266 0.80 CHRM1 (0.65) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4096734 0.80 CHRM1 (0.63) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4095889 0.79 CHRM1 (0.71) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL4101995 0.79 CHRM1 (0.53) CHRM1DRD2CHRM2CHRM4CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 EP claimed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP claimed